N-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide

C21H22F2N6O2 — CID 87050182

IUPACN-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCC(C)c1nnc(-c2cccnc2N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C21H22F2N6O2/c1-13(2)19-26-27-20(31-19)17-4-3-5-24-18(17)28-6-8-29(9-7-28)21(30)25-16-11-14(22)10-15(23)12-16/h3-5,10-13H,6-9H2,1-2H3,(H,25,30)
InChIKeyJKZXLSJOSNWVFN-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.89
Rot. Bonds4

About N-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide

N-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 87050182) has the molecular formula C21H22F2N6O2 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID87050182
Molecular FormulaC21H22F2N6O2
Molecular Weight428.44 g/mol
Exact Mass428.18
IUPAC NameN-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCC(C)c1nnc(-c2cccnc2N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C21H22F2N6O2/c1-13(2)19-26-27-20(31-19)17-4-3-5-24-18(17)28-6-8-29(9-7-28)21(30)25-16-11-14(22)10-15(23)12-16/h3-5,10-13H,6-9H2,1-2H3,(H,25,30)
InChIKeyJKZXLSJOSNWVFN-UHFFFAOYSA-N
XLogP3.89
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-Tert-Butyl-1-(1-{5-[5-(Trifluoromethyl)-1,3,4-Oxadiazol-2-Yl]pyridin-2-Yl}piperidin-4-Yl)-1h-Imidazole-5-Carboxamide
CID 121487936
methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 118180165
Methyl 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
CID 15988226
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-[2-methyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazole-2-carbonyl)-propyl]-acetamide
CID 10767409
8-(4-{4-[3-(5-Methyl-[1,3,4]oxadiazol-2-yl)-pyridin-2-yl]-piperazin-1-yl}-butyl)-8-aza-spiro[4.5]decane-7,9-dione
CID 13771049
1-[1-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 25152563
US10590140, Example 97
CID 132089169
US10590140, Example 107
CID 132089220
3-(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
CID 136241425
1,3,4-Oxadiazol-2-amine, N-phenyl-5-(3-pyridinyl)-
CID 3041662
N-(2-pyridinyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 974453
1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 46232562

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (CID 87050182) is N-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is CC(C)c1nnc(-c2cccnc2N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)o1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is JKZXLSJOSNWVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N6O2/c1-13(2)19-26-27-20(31-19)17-4-3-5-24-18(17)28-6-8-29(9-7-28)21(30)25-16-11-14(22)10-15(23)12-16/h3-5,10-13H,6-9H2,1-2H3,(H,25,30).
What are the key properties of N-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
N-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 87050182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).